NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4631 8.1627 120.3508 55.2243 33.3652 176.1896 2 S 4.1015 8.7891 120.5114 60.8595 62.7696 173.8321 3 T 3.9481 8.8936 117.4961 65.8553 69.2890 173.8659 4 F 4.5824 7.8974 119.4758 55.5786 40.7944 175.0164 5 N 4.4108 8.6041 118.4273 54.2023 38.6586 176.0103 6 A 3.6397 8.8694 124.5224 52.1106 17.7193 177.7470 7 E 3.9614 8.7923 115.5883 57.1127 27.9672 174.1118 8 T 4.0582 7.3826 107.4084 60.8861 68.2287 174.5114 9 A 4.4580 8.1360 129.6505 49.9966 20.1374 175.0847 10 D 4.3541 8.7727 120.5500 56.8917 41.9268 176.3154 11 N 4.4385 7.4073 113.8730 51.6279 42.7952 174.7222 12 L 3.9714 8.1372 123.8453 57.8041 41.6709 179.6607 13 E 3.9130 8.4598 117.5677 59.2195 29.5759 178.8152 14 D 4.2623 7.9677 118.7169 57.2054 41.4437 178.0427 15 I 3.6592 7.6241 120.2291 64.4703 37.1674 178.1547 16 E 4.2244 8.4560 118.9291 58.3905 29.2334 179.0454 17 K 3.9220 7.9098 120.8660 59.4690 32.2479 178.7914 18 Q 3.9546 8.0420 117.6716 59.0570 28.4297 178.4063 19 F 4.0526 8.1447 122.2624 60.9988 39.5972 177.0349 20 A 3.6123 7.9445 120.6023 54.9106 18.0523 179.9958 21 V 3.4968 7.4342 117.5842 65.0277 31.5330 179.0472 22 V 3.5523 7.4464 120.0092 63.9262 31.2229 178.2735 23 A 3.7165 7.6506 121.3781 55.1220 18.1351 180.0510 24 V 3.5162 7.4270 110.3838 64.5814 31.5909 178.8138 25 E 3.9450 7.9357 118.4319 59.2921 29.2995 179.0886 26 Q 3.9530 8.1663 119.4869 58.8462 29.1152 178.2964 27 A 3.9989 7.8749 122.0654 55.2305 18.5737 179.5603 28 E 3.9162 7.9088 115.9662 59.3378 29.6267 179.4918 29 T 3.8422 8.0345 117.1644 66.8684 68.6929 175.7668 30 Y 4.1320 8.1227 121.4359 60.5007 38.7292 178.2205 31 W 3.8569 8.2481 128.7179 60.2396 30.6491 177.8656 32 K 4.0259 8.1002 120.9708 58.9756 31.5259 178.6729 33 L 3.9246 7.9400 119.1112 57.7249 41.3521 179.5917 34 L 4.4963 7.6012 119.9716 57.3321 41.2114 179.5262 35 T 3.7425 7.5443 109.5075 64.5278 68.1171 176.3089 36 S 4.2201 7.3847 117.2825 59.5368 63.8864 174.4452 37 V 4.4868 7.3930 114.5131 58.2054 35.1228 173.7598 38 P 4.5228 0.0000 0.0000 62.6436 31.6801 177.7386 39 G 3.6900 8.5093 109.4539 47.8397 0.0000 175.4337 40 S 4.0909 7.6043 113.7397 61.2722 62.3077 175.7529 41 K 4.0172 7.8534 116.7886 58.7755 32.7375 176.7109 42 L 4.1007 7.3667 120.0278 54.2301 40.8433 176.6885 43 R 4.2096 8.3478 124.0428 55.4031 30.6411 177.1026 44 L 4.2407 8.6635 124.0804 57.4857 41.8815 176.6506 45 T 4.4971 7.0803 105.1336 60.2789 71.7721 173.0121 46 K 4.2650 8.2855 118.1458 56.5452 31.9902 177.5628 47 F 4.9147 7.8603 115.2288 56.3527 41.5514 176.2074 48 D 4.3410 8.2866 124.0111 56.7603 38.7247 178.0922 49 D 4.3859 8.0555 119.0668 57.0605 41.3889 177.7790 50 E 4.4398 8.2932 117.3583 59.0183 29.9582 178.8824 51 I 3.7498 7.9370 121.3736 64.3313 37.0472 177.4628 52 Y 4.3138 8.0855 119.9297 60.9234 38.6781 178.1754 53 E 4.0489 8.3538 119.0940 59.7542 29.7218 179.2623 54 N 4.6083 8.6996 116.3211 56.1027 38.5388 177.3222 55 F 4.8149 8.5939 122.8424 61.2864 39.2443 176.5956 56 M 4.6377 7.9480 114.5697 57.0048 31.4940 178.2110 57 E 4.1398 8.2106 119.7280 59.7098 29.9537 178.8638 58 R 4.2269 8.1314 116.0348 57.0850 31.8151 176.9803 59 F 4.7204 8.2167 117.6630 54.8178 38.9734 173.5406 60 P 4.6741 0.0000 0.0000 63.5565 31.8879 178.2536 61 E 4.1719 8.0746 117.6453 58.9685 30.5131 177.5058 62 Y 4.2491 7.9780 117.8619 58.9225 38.4281 177.6983 63 K 3.0114 7.5741 118.4871 58.6502 32.9671 177.0025 64 D 4.3592 7.3155 119.7776 54.1198 41.5378 177.2540 65 V 3.5254 8.6483 122.7919 66.5764 31.1287 178.2633 66 E 4.0968 8.1582 117.2144 58.7394 29.2118 178.5225 67 R 4.2497 7.7310 116.3522 57.2398 30.5648 178.3710 68 V 4.1724 7.5128 117.8743 65.2530 32.0126 177.0120 69 K 4.2502 8.2429 118.2397 59.1777 32.6493 176.5054 70 K 5.6700 7.6900 117.0971 53.4139 35.7435 174.7414 71 F 5.0885 7.8161 114.7429 56.1660 40.8053 173.1795 72 T 4.7559 8.8602 115.7616 61.6470 71.3550 175.9227 73 E 4.3405 8.9559 122.0049 59.7841 29.5109 179.0880 74 E 4.0868 8.3279 118.5604 58.9686 29.4369 178.3422 75 E 4.2339 7.7506 116.9988 57.9934 30.0136 178.0961 76 L 4.6662 7.9086 119.5113 56.7945 42.3382 178.0141 77 K 4.3464 7.5940 115.7567 56.3574 32.8223 177.1213 78 T 4.2155 7.3043 115.0403 61.1670 68.5761 174.7195 79 K 3.8830 8.9459 128.2644 59.9566 32.0653 178.6981 80 E 3.9431 8.2740 117.7524 59.5595 29.4090 179.2285 81 A 3.8729 7.9457 120.0559 54.9224 18.4335 179.5327 82 K 4.1905 8.2203 117.0498 59.8019 32.1073 179.2971 83 E 4.0458 8.3395 118.6132 59.7234 29.4550 179.6253 84 R 3.8674 8.0686 117.8937 59.2231 30.0699 179.1812 85 W 4.8059 8.4018 118.6675 59.4707 28.9616 178.7379 86 R 4.2492 8.0754 119.2043 59.4970 29.3237 178.5930 87 K 4.0678 8.4319 119.9022 58.8976 32.0249 179.1423 88 F 4.5567 8.7625 121.0968 61.1260 39.3833 177.0106 89 F 4.3478 8.7531 120.7075 61.5975 38.8130 177.2035 90 T 3.6923 7.8020 110.0602 63.3318 68.1117 176.5609 91 I 3.3754 6.8002 121.3852 63.8014 37.3154 177.3199 92 F 4.6482 6.7554 115.5742 56.9884 39.0620 177.5162 93 E 3.8893 7.7654 118.9321 58.5510 29.4521 178.7770 94 K 4.2189 7.6682 117.5997 57.4933 32.7686 177.1382 95 K 4.0931 7.6306 114.5923 57.8681 35.7994 176.5363 96 I 4.2231 7.7241 123.5002 59.5919 36.4997 175.8527 97 E 4.1752 8.8936 125.3324 59.5808 30.1776 178.5053 98 D 4.9022 7.8550 118.3766 53.4546 40.1590 176.3434 99 Y 4.3273 8.1923 120.4171 59.2428 39.4599 176.2599 100 N 4.6472 6.8746 118.0197 51.5750 38.0038 173.2333 101 F 4.2733 7.9430 121.4420 57.8901 40.8716 175.6199 102 G 4.1913 9.3832 108.3827 46.3932 0.0000 172.4806 103 T 4.5158 8.6582 120.6228 61.5681 73.5420 172.8097 104 L 4.6229 8.1593 126.3341 53.8197 43.1433 175.3439 105 L 5.1425 8.3799 128.2092 53.0072 45.4890 175.8919 106 R 4.4703 8.6975 121.9516 55.8153 30.7160 176.7017 107 T 2.4800 8.4810 111.7809 63.7603 69.2467 173.6148 108 D 4.9280 7.4853 121.4771 51.2907 43.4674 176.3894 109 A 4.1806 8.8057 130.2079 55.3848 18.5099 178.5078 110 S 4.2401 8.3010 107.2387 57.9768 63.2775 173.4072 111 A 4.6126 7.5257 123.1695 50.4873 20.9226 177.4813 112 E 4.9360 8.4371 118.5975 55.8158 32.0586 176.5713 113 Y 4.4476 7.7683 116.4096 56.0669 36.8534 174.5287 114 G 4.1076 7.8486 111.2272 43.8477 0.0000 172.5529 115 Q 3.7278 8.6358 121.3327 59.0450 28.8685 179.2232 116 F 4.3786 7.8764 114.1447 59.6405 39.5304 176.3386 117 T 4.4986 8.0599 109.5615 60.6622 68.8519 174.1026 118 T 5.0473 7.2504 109.7172 60.4982 71.9606 172.8128 119 C 4.7180 8.6548 119.2454 57.9874 33.1003 173.3556 120 F 4.7190 8.6971 121.2130 57.7777 39.4760 175.0779 121 V 4.5978 8.7739 116.0222 59.8827 36.7938 174.9909 122 V 4.3060 7.9522 114.1285 60.4001 33.2102 178.2435 123 R 3.6257 8.4147 120.5558 59.2109 29.6485 179.3763 124 L 4.0305 7.8220 119.6433 58.4185 42.3597 178.9609 125 Q 3.5079 7.8361 117.4972 58.5843 28.5113 178.0021 126 F 4.1401 8.1452 121.6878 61.6267 39.2947 176.5894 127 Y 4.1927 8.1032 116.0056 61.2728 37.4162 178.3194 128 A 3.8424 7.8478 121.2851 55.7641 18.2248 179.8043 129 F 4.4989 7.9590 114.8548 60.4149 39.0162 177.8617 130 E 3.8479 8.3962 119.2399 59.3467 29.4470 178.7769 131 I 3.7593 8.1223 119.9551 64.2883 37.1441 178.1020 132 A 4.6228 8.1323 121.1565 55.8183 18.3350 179.9977 133 R 4.0821 8.5885 116.4760 59.2480 29.9540 179.0285 134 N 4.3596 8.4882 117.0388 56.7793 38.8323 177.2354 135 K 3.9605 7.8645 118.5599 59.6392 32.2128 178.6649 136 H 4.4951 8.5276 114.6778 55.9638 28.7706 175.9935 137 G 3.9995 7.5979 108.5492 46.5766 0.0000 174.8911 138 L 4.3993 8.3298 120.4836 55.9639 41.7659 177.5762 139 N 5.1646 8.0258 116.2497 52.9771 39.5944 176.4002 140 D 4.2248 8.3902 121.1959 56.8377 41.9436 178.1087 141 W 4.3456 8.4116 116.4069 59.3147 27.9301 178.1795 142 I 2.6555 6.2269 120.8585 63.8224 36.0867 178.3727 143 V 3.9431 6.7719 113.0802 62.3910 31.4087 177.0796 144 G 3.9378 7.2426 105.8412 45.2324 0.0000 173.9369 145 Q 4.4932 7.3714 119.6891 55.2984 30.2490 176.3242 146 K 4.1713 8.3795 117.1051 57.8715 32.2587 175.5666 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.46 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.81 0.00 2 S 8.79 4.10 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.89 3.95 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 4 F 7.90 4.58 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.60 4.41 0.00 2.79 2.80 0.00 0.00 6.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.87 3.64 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.79 3.96 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 8 T 7.38 4.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 9 A 8.14 4.46 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.77 4.35 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 7.41 4.44 0.00 2.71 2.78 0.00 0.00 7.07 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.14 3.97 0.00 1.68 1.64 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.46 3.91 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 14 D 7.97 4.26 0.00 2.78 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.62 3.66 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.96 0.76 0.00 0.00 16 E 8.46 4.22 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 17 K 7.91 3.92 0.00 2.06 1.96 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 18 Q 8.04 3.95 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.60 2.30 0.00 19 F 8.14 4.05 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.94 3.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.43 3.50 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 22 V 7.45 3.55 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.91 0.00 0.00 23 A 7.65 3.72 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.43 3.52 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 25 E 7.94 3.94 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 26 Q 8.17 3.95 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 27 A 7.87 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.91 3.92 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.61 0.00 29 T 8.03 3.84 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 30 Y 8.12 4.13 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.25 3.86 0.00 3.58 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.10 4.03 0.00 1.98 2.15 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.38 7.81 33 L 7.94 3.92 0.00 1.74 1.58 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.60 4.50 0.00 1.15 1.23 0.15 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.54 3.74 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 36 S 7.38 4.22 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.39 4.49 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 38 P 0.00 4.52 0.00 2.16 2.12 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 39 G 8.51 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.60 4.09 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.85 4.02 0.00 1.88 1.90 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.37 7.81 42 L 7.37 4.10 0.00 1.80 1.72 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.35 4.21 0.00 1.75 1.97 0.00 3.33 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.89 0.00 44 L 8.66 4.24 0.00 1.57 1.73 1.19 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.08 4.50 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 46 K 8.29 4.26 0.00 1.27 1.44 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.31 7.81 47 F 7.86 4.91 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.29 4.34 0.00 2.85 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.06 4.39 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.29 4.44 0.00 2.39 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.63 0.00 51 I 7.94 3.75 1.95 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.98 0.44 0.00 0.00 52 Y 8.09 4.31 0.00 3.23 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.35 4.05 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 54 N 8.70 4.61 0.00 3.25 3.10 0.00 0.00 7.19 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.59 4.81 0.00 3.39 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 7.95 4.64 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 57 E 8.21 4.14 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 58 R 8.13 4.23 0.00 2.15 1.80 0.00 3.23 0.00 0.00 3.66 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 59 F 8.22 4.72 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.67 0.00 2.16 2.17 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 61 E 8.07 4.17 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 62 Y 7.98 4.25 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.57 3.01 0.00 1.63 1.69 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.35 7.81 64 D 7.32 4.36 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.65 3.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.01 0.00 0.00 66 E 8.16 4.10 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 67 R 7.73 4.25 0.00 2.01 2.06 0.00 3.40 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 68 V 7.51 4.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.59 0.00 0.00 69 K 8.24 4.25 0.00 2.04 2.11 0.00 1.33 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.44 7.81 70 K 7.69 5.67 0.00 1.54 1.91 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.31 7.81 71 F 7.82 5.09 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.86 4.76 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 73 E 8.96 4.34 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 74 E 8.33 4.09 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 75 E 7.75 4.23 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 76 L 7.91 4.67 0.00 1.93 2.02 0.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.59 4.35 0.00 1.91 1.92 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.73 7.81 78 T 7.30 4.22 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 79 K 8.95 3.88 0.00 1.89 1.84 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.59 7.81 80 E 8.27 3.94 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 81 A 7.95 3.87 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.22 4.19 0.00 2.09 2.00 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.94 7.81 83 E 8.34 4.05 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 84 R 8.07 3.87 0.00 1.84 1.90 0.00 3.02 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.75 0.00 85 W 8.40 4.81 0.00 3.63 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.08 4.25 0.00 2.01 2.29 0.00 3.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 87 K 8.43 4.07 0.00 2.08 1.87 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.35 7.81 88 F 8.76 4.56 0.00 3.61 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.75 4.35 0.00 3.19 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.80 3.69 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 91 I 6.80 3.38 0.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 -0.01 0.00 0.00 92 F 6.76 4.65 0.00 3.05 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.77 3.89 0.00 1.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 94 K 7.67 4.22 0.00 1.60 1.78 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.21 7.81 95 K 7.63 4.09 0.00 0.79 1.11 0.00 1.33 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.29 0.96 7.81 96 I 7.72 4.22 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 1.15 0.00 0.00 97 E 8.89 4.18 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 98 D 7.86 4.90 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.19 4.33 0.00 3.27 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 6.87 4.65 0.00 1.44 1.83 0.00 0.00 6.59 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.94 4.27 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 9.38 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.66 4.52 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 104 L 8.16 4.62 0.00 1.52 1.48 0.80 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.38 5.14 0.00 2.04 1.61 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.70 4.47 0.00 2.17 2.02 0.00 3.43 0.00 0.00 3.76 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 107 T 8.48 2.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 108 D 7.49 4.93 0.00 2.63 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.81 4.18 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.30 4.24 0.00 3.59 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.53 4.61 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.44 4.94 0.00 1.83 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 113 Y 7.77 4.45 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.85 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.64 3.73 0.00 1.82 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.71 0.00 0.00 0.00 0.00 0.00 1.75 2.10 0.00 116 F 7.88 4.38 0.00 3.05 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.06 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 118 T 7.25 5.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 C 8.65 4.72 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.70 4.72 0.00 3.08 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.77 4.60 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.03 0.00 0.00 122 V 7.95 4.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.99 0.00 0.00 123 R 8.41 3.63 0.00 2.01 1.73 0.00 2.88 0.00 0.00 2.63 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 124 L 7.82 4.03 0.00 1.91 1.81 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.84 3.51 0.00 1.85 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.05 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 126 F 8.15 4.14 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.10 4.19 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.85 3.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.96 4.50 0.00 3.15 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.40 3.85 0.00 1.42 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.26 0.00 131 I 8.12 3.76 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.61 1.08 0.00 0.00 132 A 8.13 4.62 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.59 4.08 0.00 2.16 2.31 0.00 3.38 0.00 0.00 3.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.05 0.00 134 N 8.49 4.36 0.00 3.06 3.05 0.00 0.00 7.17 5.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.86 3.96 0.00 1.72 1.62 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.51 7.81 136 H 8.53 4.50 0.00 3.31 3.44 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.60 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.33 4.40 0.00 1.81 1.88 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.03 5.16 0.00 2.95 2.86 0.00 0.00 6.93 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.39 4.22 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.41 4.35 0.00 3.69 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 6.23 2.66 1.09 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 -0.52 0.00 0.00 143 V 6.77 3.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 144 G 7.24 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 7.37 4.49 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 7.14 0.00 0.00 0.00 0.00 0.00 2.45 2.03 0.00 146 K 8.38 4.17 0.00 1.86 1.75 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81